# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98333193
_cell_length_b   9.98333193
_cell_length_c   16.38568839
_cell_angle_alpha   82.19299143
_cell_angle_beta   82.19299143
_cell_angle_gamma   59.13709857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li16 Cu16 P16 O64'
_cell_volume   1384.65609438
_cell_formula_units_Z   16
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.27014400  0.88264200  0.12730100  1
  Li  Li1  1  0.77090400  0.44452100  0.12610100  1
  Li  Li2  1  0.88264200  0.27014400  0.62730100  1
  Li  Li3  1  0.44452100  0.77090400  0.62610100  1
  Li  Li4  1  0.32481500  0.00346700  0.37726300  1
  Li  Li5  1  0.88268500  0.50890600  0.37877000  1
  Li  Li6  1  0.00346700  0.32481500  0.87726300  1
  Li  Li7  1  0.50890600  0.88268500  0.87877000  1
  Li  Li8  1  0.27282100  0.38008400  0.12632700  1
  Li  Li9  1  0.77048900  0.94311900  0.12806400  1
  Li  Li10  1  0.38008400  0.27282100  0.62632700  1
  Li  Li11  1  0.94311900  0.77048900  0.62806400  1
  Li  Li12  1  0.82651900  0.00536700  0.37863900  1
  Li  Li13  1  0.38213000  0.50535800  0.37874600  1
  Li  Li14  1  0.00536700  0.82651900  0.87863900  1
  Li  Li15  1  0.50535800  0.38213000  0.87874600  1
  Cu  Cu16  1  0.81509900  0.19633100  0.00206600  1
  Cu  Cu17  1  0.19633100  0.81509900  0.50206600  1
  Cu  Cu18  1  0.57932600  0.69970900  0.25202300  1
  Cu  Cu19  1  0.07627800  0.25352900  0.24883700  1
  Cu  Cu20  1  0.31398400  0.14196900  0.00040400  1
  Cu  Cu21  1  0.69970900  0.57932600  0.75202300  1
  Cu  Cu22  1  0.81484100  0.69840500  0.00258100  1
  Cu  Cu23  1  0.25352900  0.07627800  0.74883700  1
  Cu  Cu24  1  0.14196900  0.31398400  0.50040400  1
  Cu  Cu25  1  0.69840500  0.81484100  0.50258100  1
  Cu  Cu26  1  0.57256700  0.20150000  0.25191800  1
  Cu  Cu27  1  0.08230600  0.75288100  0.25027900  1
  Cu  Cu28  1  0.31583500  0.64031400  0.00142700  1
  Cu  Cu29  1  0.20150000  0.57256700  0.75191800  1
  Cu  Cu30  1  0.75288100  0.08230600  0.75027900  1
  Cu  Cu31  1  0.64031400  0.31583500  0.50142700  1
  P  P32  1  0.91401000  0.10051400  0.19159800  1
  P  P33  1  0.10051400  0.91401000  0.69159800  1
  P  P34  1  0.98335400  0.16627400  0.44031800  1
  P  P35  1  0.54167100  0.66460200  0.44077100  1
  P  P36  1  0.16627400  0.98335400  0.94031800  1
  P  P37  1  0.66460200  0.54167100  0.94077100  1
  P  P38  1  0.41615800  0.04437700  0.18991400  1
  P  P39  1  0.91701500  0.60046600  0.19194100  1
  P  P40  1  0.04437700  0.41615800  0.68991400  1
  P  P41  1  0.60046600  0.91701500  0.69194100  1
  P  P42  1  0.48263400  0.16581700  0.43948000  1
  P  P43  1  0.04240100  0.66338500  0.44175400  1
  P  P44  1  0.16581700  0.48263400  0.93948000  1
  P  P45  1  0.66338500  0.04240100  0.94175400  1
  P  P46  1  0.41738200  0.54668700  0.19025100  1
  P  P47  1  0.54668700  0.41738200  0.69025100  1
  O  O48  1  0.33873800  0.66232000  0.11541700  1
  O  O49  1  0.07758400  0.95375100  0.20322800  1
  O  O50  1  0.57780800  0.52960400  0.20044900  1
  O  O51  1  0.74328300  0.42127700  0.01441000  1
  O  O52  1  0.66232000  0.33873800  0.61541700  1
  O  O53  1  0.55677700  0.50689800  0.42610500  1
  O  O54  1  0.23527100  0.98966900  0.01805000  1
  O  O55  1  0.92997000  0.24908500  0.18197000  1
  O  O56  1  0.95375100  0.07758400  0.70322800  1
  O  O57  1  0.13257400  0.00329700  0.42741700  1
  O  O58  1  0.52960400  0.57780800  0.70044900  1
  O  O59  1  0.42127700  0.74328300  0.51441000  1
  O  O60  1  0.50689800  0.55677700  0.92610500  1
  O  O61  1  0.48064500  0.77697200  0.36169300  1
  O  O62  1  0.97933300  0.27888700  0.36444100  1
  O  O63  1  0.44218700  0.88102700  0.17759700  1
  O  O64  1  0.98966900  0.23527100  0.51805000  1
  O  O65  1  0.24908500  0.92997000  0.68197000  1
  O  O66  1  0.00329700  0.13257400  0.92741700  1
  O  O67  1  0.70347900  0.63593200  0.45839900  1
  O  O68  1  0.84231300  0.59847600  0.11536500  1
  O  O69  1  0.29977600  0.11369200  0.26691200  1
  O  O70  1  0.80526300  0.60481300  0.26906400  1
  O  O71  1  0.77697200  0.48064500  0.86169300  1
  O  O72  1  0.27888700  0.97933300  0.86444100  1
  O  O73  1  0.88102700  0.44218700  0.67759700  1
  O  O74  1  0.34273600  0.15896500  0.11402000  1
  O  O75  1  0.07932500  0.45046400  0.20147400  1
  O  O76  1  0.33854500  0.14357300  0.44942300  1
  O  O77  1  0.63593200  0.70347900  0.95839900  1
  O  O78  1  0.59847600  0.84231300  0.61536500  1
  O  O79  1  0.11369200  0.29977600  0.76691200  1
  O  O80  1  0.60481300  0.80526300  0.76906400  1
  O  O81  1  0.57537300  0.02844800  0.20247900  1
  O  O82  1  0.74095100  0.92312300  0.01600900  1
  O  O83  1  0.15896500  0.34273600  0.61402000  1
  O  O84  1  0.05807200  0.50630500  0.42630300  1
  O  O85  1  0.23903300  0.48585400  0.01629200  1
  O  O86  1  0.93712800  0.74662300  0.18221400  1
  O  O87  1  0.45046400  0.07932500  0.70147400  1
  O  O88  1  0.14357300  0.33854500  0.94942300  1
  O  O89  1  0.63384600  0.00413700  0.42744600  1
  O  O90  1  0.02844800  0.57537300  0.70247900  1
  O  O91  1  0.92312300  0.74095100  0.51600900  1
  O  O92  1  0.50630500  0.05807200  0.92630300  1
  O  O93  1  0.47732300  0.27796800  0.36239700  1
  O  O94  1  0.97936100  0.77761900  0.36382400  1
  O  O95  1  0.48585400  0.23903300  0.51629200  1
  O  O96  1  0.44075500  0.38445800  0.17729500  1
  O  O97  1  0.74662300  0.93712800  0.68221400  1
  O  O98  1  0.00413700  0.63384600  0.92744600  1
  O  O99  1  0.20494400  0.63429100  0.45912200  1
  O  O100  1  0.84482100  0.09442300  0.11382800  1
  O  O101  1  0.79929000  0.10400300  0.26678000  1
  O  O102  1  0.30672400  0.61448800  0.26935300  1
  O  O103  1  0.27796800  0.47732300  0.86239700  1
  O  O104  1  0.77761900  0.97936100  0.86382400  1
  O  O105  1  0.38445800  0.44075500  0.67729500  1
  O  O106  1  0.63429100  0.20494400  0.95912200  1
  O  O107  1  0.83723700  0.14742900  0.44995800  1
  O  O108  1  0.09442300  0.84482100  0.61382800  1
  O  O109  1  0.10400300  0.79929000  0.76678000  1
  O  O110  1  0.61448800  0.30672400  0.76935300  1
  O  O111  1  0.14742900  0.83723700  0.94995800  1
